SCHEMBL906398

SCHEMBL906398

CCC(=O)NOCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.62
NPC1 O15118 8/20 0.62
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC3 O15379 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
ALDH1A1 P00352 1/20 0.50
EGFR P00533 1/20 0.47
EPHX2 P34913 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14580974 0.89 RAB9A (0.51) RAB9ANPC1GAAKMT2AHDAC3
SCHEMBL2037095 0.87 NPC1 (0.57) RAB9ANPC1KMT2AHDAC3NCOR2
SCHEMBL27562115 0.85 RAB9A (0.47) RAB9ANPC1GAAKMT2AHDAC3
SCHEMBL13314114 0.85 NPC1 (0.59) RAB9ANPC1HDAC3NCOR2ALDH1A1
SCHEMBL7970712 0.85 NPC1 (0.62) RAB9ANPC1HDAC3NCOR2EGFR
SCHEMBL13607002 0.85 NPC1 (0.62) RAB9ANPC1HDAC3NCOR2ALDH1A1
SCHEMBL7424713 0.85 NPC1 (0.62) RAB9ANPC1KMT2AHDAC3NCOR2
SCHEMBL9800175 0.85 NPC1 (0.62) RAB9ANPC1HDAC3NCOR2ALDH1A1
SCHEMBL7981993 0.85 HDAC3 (0.64) RAB9ANPC1HDAC3NCOR2EGFR
SCHEMBL27812554 0.84 HDAC3 (0.60) RAB9ANPC1KMT2AHDAC3NCOR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247794-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIVERSITY TECHNOLOGY (ZA) 2020-08-06 US claimed
EP-3365819-A2 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 Mangosuthu University Of Technology (ZA) 2018-08-29 EP claimed
WO-2017070719-A2 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIVERSITY OF TECHNOLOGY (ZA) 2017-04-27 WO claimed
EP-1299377-A2 SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2003-04-09 EP claimed
WO-2002000641-A2 SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2002-01-03 WO claimed
EP-3365330-B1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIV OF TECHNOLOGY (ZA) 2023-06-07 EP disclosed
EP-3365819-B1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIV OF TECHNOLOGY (ZA) 2023-06-07 EP disclosed
US-11548860-B2 Pharmacophores, compounds and methods having application in the treatment of cancer through inhibition of CYP17A1 and CYP19A1 MANGOSUTHU UNIVERSITY OF TECHNOLOGY (ZA) 2023-01-10 US disclosed
WO-2022087317-A1 THIOHYDROXYPYRIDINE CHELATES LUMIPHORE, INC. (US) 2022-04-28 WO disclosed
US-20200247764-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIVERSITY TECHNOLOGY (ZA) 2020-08-06 US disclosed
US-20200247794-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIVERSITY TECHNOLOGY (ZA) 2020-08-06 US disclosed
WO-2019173639-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2019-09-12 WO disclosed
EP-0961766-A1 PHENOXYACETIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES Rhone Poulenc Agro (FR) 1999-12-08 EP disclosed
US-5990161-A PESTICIDES, FUNGICIDES AND INSECTICIDES FOR KILLING ANTHROPODS; PLANT PROTECTION; CROPS; CONTROLLING RHONE-POULENC AGROCHIMIE (FR) 1999-11-23 US disclosed
US-5919825-A PLANT SAFENING AGENT; INSECTICIDES; FUNGICIDES RHONE-POULENC AGROCHIMIE (FR) 1999-07-06 US disclosed
WO-1998034898-A1 PHENOXYACETIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRO (FR) 1998-08-13 WO disclosed
CN-1187810-A New hydroximic acid derivatives RHONE POULENC AGROCHIMIE (FR) 1998-07-15 CN disclosed
EP-0821667-A1 NEW HYDROXIMIC ACID DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1998-02-04 EP disclosed
WO-1996033164-A1 NEW HYDROXIMIC ACID DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1996-10-24 WO disclosed
EP-0731797-A1 PARAMAGNETIC CHELATES FOR NUCLEAR MAGNETIC RESONANCE DIAGNOSIS BRACCO S.p.A. (IT) 1996-09-18 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200247794-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 CYP19A1, CYP26A1, CYP21A2 RAB9A 3461/4885NPC1 918/4885GAA 3272/4885
US-20200247764-A1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 CYP19A1, CYP26A1, CYP21A2 RAB9A 3635/4885NPC1 619/4885GAA 3642/4885
US-11548860-B2 Pharmacophores, compounds and methods having application in the treatment of cancer through inhibition of CYP17A1 and CYP19A1 CYP19A1, CYP26A1, CYP21A2 RAB9A 3635/4885NPC1 619/4885GAA 3642/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.